1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C16H20N4O4 — CID 30948397

IUPAC1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCCn2ncccc2=O)c1
InChIInChI=1S/C16H20N4O4/c1-23-12-6-7-14(24-2)13(11-12)19-16(22)17-8-4-10-20-15(21)5-3-9-18-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,19,22)
InChIKeyLCXZBMJMNPQOQH-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.47
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30948397) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30948397
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCCn2ncccc2=O)c1
InChIInChI=1S/C16H20N4O4/c1-23-12-6-7-14(24-2)13(11-12)19-16(22)17-8-4-10-20-15(21)5-3-9-18-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,19,22)
InChIKeyLCXZBMJMNPQOQH-UHFFFAOYSA-N
XLogP1.47
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
1-(2,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119485
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 121120208
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 121050261
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121068674

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30948397) is 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is COc1ccc(OC)c(NC(=O)NCCCn2ncccc2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is LCXZBMJMNPQOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-23-12-6-7-14(24-2)13(11-12)19-16(22)17-8-4-10-20-15(21)5-3-9-18-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 332.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30948397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).